1-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-p-phenetyl-piperidin-1-ium-4-carboxamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2(CCC(CC2)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c1-2-26-17-9-7-16(8-10-17)24(13-11-15(12-14-24)20(22)25)21-23-18-5-3-4-6-19(18)27-21/h3-10,15H,2,11-14H2,1H3,(H-,22,25)/p+1